| Properties | Image |
|---|
| MNX_ID | MNXM1183624 |
 |
| reference | envipathM:...e67d00cd6817 |
| formula | C58H94O15 |
| global charge | -2 |
| mol weight | 1031.375 |
| InChIKey | CAUQXTHBMBGBIJ-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H96O15/c1-4-6-8-9-10-11-12-13-14-15-18-25-32-46(59)56(64)58(67)70-44(42-69-55(63)38-30-22-17-20-27-36-50-52(73-50)40-51-49(72-51)33-7-5-2)41-68-54(62)37-29-21-16-19-26-34-47-48(71-47)35-28-23-24-31-43(3)45(57(65)66)39-53(60)61/h9-10,12-13,43-45,47-52,56,64H,4-8,11,14-42H2,1-3H3,(H,60,61)(H,65,66)/p-2 |
| SMILES | CCCCC=CCC=CCCCCCC(=O)C(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CCCCCC(C)C(CC(=O)[O-])C(=O)[O-])COC(=O)CCCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C58H96O15/c1-4-6-8-9-10-11-12-13-14-15-18-25-32-46(59)56(64)58(67)70-44(42-69-55(63)38-30-22-17-20-27-36-50-52(73-50)40-51-49(72-51)33-7-5-2)41-68-54(62)37-29-21-16-19-26-34-47-48(71-47)35-28-23-24-31-43(3)45(57(65)66)39-53(60)61/h9-10,12-13,43-45,47-52,56,64H,4-8,11,14-42H2,1-3H3,(H,60,61)(H,65,66)/b10-9?,13-12?/t43?,44?,45?,47?,48?,49?,50?,51?,52?,56? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:18][CH2:25][CH2:32][C:46]([CH:56]([C:58](=[O:67])[O:70][CH:44]([CH2:41][O:68][C:54]([CH2:37][CH2:29][CH2:21][CH2:16][CH2:19][CH2:26][CH2:34][CH:47]1[CH:48]([CH2:35][CH2:28][CH2:23][CH2:24][CH2:31][CH:43]([CH3:3])[CH:45]([CH2:39][C:53](=[O:60])[OH:61])[C:57](=[O:65])[OH:66])[O:71]1)=[O:62])[CH2:42][O:69][C:55]([CH2:38][CH2:30][CH2:22][CH2:17][CH2:20][CH2:27][CH2:36][CH:50]1[CH:52]([CH2:40][CH:51]2[CH:49]([CH2:33][CH2:7][CH2:5][CH3:2])[O:72]2)[O:73]1)=[O:63])[OH:64])=[O:59] |
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